1crn.bs
327
N   17.04700  14.09900   3.62500     2
C   16.96700  12.78400   4.33800     1     3     5
C   15.68500  12.75500   5.13300     2     4     8
O   15.26800  13.82500   5.59400     3
C   18.17000  12.70300   5.33700     2     6     7
O   19.33400  12.82900   4.46300     5
C   18.15000  11.54600   6.30400     5
N   15.11500  11.55500   5.26500     3     9
C   13.85600  11.46900   6.06600     8    10    12
C   14.16400  10.78500   7.37900     9    11    15
O   14.99300   9.86200   7.44300    10
C   12.73200  10.71100   5.26100     9    13    14
O   13.30800   9.43900   4.92600    12
C   12.48400  11.44200   3.89500    12
N   13.48800  11.24100   8.41700    10    16
C   13.66000  10.70700   9.78700    15    17    19
C   12.26900  10.43100  10.32300    16    18    21
O   11.39300  11.30800  10.18500    17
C   14.36800  11.74800  10.69100    16    20
S   15.88500  12.42600  10.01600    19   282
N   12.01900   9.27200  10.92800    17    22
C   10.64600   8.99100  11.40800    21    23    25
C   10.65400   8.79300  12.91900    22    24    27
O   11.65900   8.29600  13.49100    23
C   10.05700   7.75200  10.68200    22    26
S    9.83700   8.01800   8.90400    25   229
N    9.56100   9.10800  13.56300    23    28    33
C    9.44800   9.03400  15.01200    27    29    31
C    9.28800   7.67000  15.60600    28    30    34
O    9.49000   7.51900  16.81900    29
C    8.23000   9.95700  15.34500    28    32
C    7.33800   9.78600  14.11400    31    33
C    8.36600   9.80400  12.95800    27    32
N    8.87500   6.68600  14.79600    29    35
C    8.67300   5.31400  15.27900    34    36    38
C    8.75300   4.37600  14.08300    35    37    40
O    8.72600   4.85800  12.92300    36
C    7.34000   5.12100  15.99600    35    39
O    6.27400   5.22000  15.03100    38
N    8.88100   3.07500  14.35800    36    41
C    8.91200   2.08300  13.25800    40    42    44
C    7.58100   2.09000  12.50600    41    43    48
O    7.67000   2.03100  11.24500    42
C    9.20700   0.67700  13.92400    41    45    46
C   10.71400   0.70200  14.31200    44    47
C    8.81100  -0.47700  12.96900    44
C   11.18500  -0.51600  15.14200    45
N    6.45800   2.16200  13.15900    42    49
C    5.14500   2.20900  12.45300    48    50    52
C    5.11500   3.37900  11.46100    49    51    55
O    4.66400   3.26800  10.34300    50
C    3.99500   2.35400  13.47800    49    53    54
C    2.71600   2.89100  12.86900    52
C    3.75800   1.03200  14.20800    52
N    5.60600   4.54600  11.94100    50    56
C    5.59800   5.76700  11.08200    55    57    59
C    6.44100   5.52700   9.85000    56    58    60
O    6.05200   5.93300   8.74400    57
C    6.02200   6.97700  11.89100    56
N    7.64700   4.90900  10.00500    57    61
C    8.49600   4.60900   8.83700    60    62    64
C    7.79800   3.60900   7.87600    61    63    71
O    7.87800   3.77800   6.65100    62
C    9.84700   4.02000   9.30500    61    65
C   10.75200   3.60700   8.14900    64    66
C   11.22600   4.69900   7.24400    65    67
N   12.14300   5.57100   8.03500    66    68
C   12.75800   6.60900   7.44300    67    69    70
N   12.53900   6.93200   6.15800    68
N   13.60100   7.32200   8.20200    68
N    7.18600   2.58200   8.44500    62    72
C    6.50000   1.58400   7.56500    71    73    75
C    5.38200   2.31300   6.77300    72    74    77
O    5.21300   2.01600   5.55700    73
C    5.90800   0.46200   8.40000    72    76
O    6.99000  -0.27200   9.01200    75
N    4.64800   3.18200   7.44600    73    78
C    3.54500   3.93500   6.75100    77    79    81
C    4.10700   4.85100   5.69100    78    80    85
O    3.53600   5.00100   4.61700    79
C    2.66300   4.67700   7.74800    78    82
C    1.80200   3.73500   8.61000    81    83    84
O    1.56700   2.61300   8.16500    82
N    1.39400   4.25200   9.76700    82
N    5.25900   5.49800   6.00500    79    86
C    5.92900   6.35800   5.05500    85    87    89
C    6.30400   5.57800   3.79900    86    88    96
O    6.13600   6.07200   2.65300    87
C    7.18300   6.99400   5.75400    86    90
C    7.88400   8.00600   4.88300    89    91    92
C    8.90600   7.58600   4.02700    90    93
C    7.53200   9.37300   4.98300    90    94
C    9.56000   8.53900   3.19400    91    95
C    8.17600  10.28100   4.14500    92    95
C    9.14100   9.84500   3.29200    93    94
N    6.90000   4.39000   3.98900    87    97
C    7.33100   3.60700   2.79100    96    98   100
C    6.11600   3.21000   1.91500    97    99   104
O    6.24000   3.14400   0.68400    98
C    8.14500   2.40400   3.24000    97   101
C    9.55500   2.85600   3.73000   100   102   103
O   10.01300   3.89500   3.32300   101
N   10.12000   1.95600   4.53900   101
N    4.99300   2.92700   2.57100    98   105
C    3.78200   2.59900   1.74200   104   106   108
C    3.29600   3.87100   1.00400   105   107   111
O    2.94700   3.81700  -0.18900   106
C    2.69800   1.95300   2.60800   105   109   110
C    1.38400   1.82600   1.80600   108
C    3.17400   0.53300   3.00500   108
N    3.32100   4.98700   1.72000   106   112
C    2.89000   6.28500   1.12600   111   113   115
C    3.68700   6.59700  -0.11100   112   114   117
O    3.20000   7.14700  -1.10300   113
C    3.03900   7.36900   2.24000   112   116
S    2.55900   9.01400   1.64900   115   188
N    4.99700   6.22700  -0.10000   113   118
C    5.89500   6.48900  -1.21300   117   119   121
C    5.73800   5.56000  -2.40900   118   120   128
O    6.22800   5.90100  -3.50700   119
C    7.37000   6.50700  -0.73100   118   122
C    7.71700   7.68700   0.20600   121   123
C    7.94900   8.94700  -0.61500   122   124
N    9.21200   8.85600  -1.33700   123   125
C    9.53700   9.53300  -2.43100   124   126   127
N    8.65900  10.35000  -3.03200   125
N   10.79300   9.49100  -2.89900   125
N    5.05100   4.41100  -2.20400   119   129
C    4.93300   3.43100  -3.32600   128   130   132
C    4.39700   4.01400  -4.62000   129   131   136
O    4.98800   3.75500  -5.68700   130
C    4.19600   2.18400  -2.86300   129   133
C    4.96000   1.17800  -1.99100   132   134   135
C    3.90700   0.09700  -1.63400   133
C    6.12900   0.60600  -2.76800   133
N    3.32900   4.79500  -4.54300   130   137   142
C    2.79200   5.37600  -5.79700   136   138   140
C    3.57300   6.54000  -6.32200   137   139   143
O    3.26000   7.04500  -7.42200   138
C    1.35800   5.76600  -5.47200   137   141
C    1.22300   5.69400  -3.99300   140   142
C    2.42100   4.94100  -3.40800   136   141
N    4.56500   7.04700  -5.55900   138   144
C    5.36600   8.19100  -6.01800   143   145
C    5.00700   9.48100  -5.28000   144   146   147
O    5.53500  10.51000  -5.73000   145
N    4.18100   9.43800  -4.26200   145   148
C    3.76700  10.60900  -3.51300   147   149   151
C    5.01700  11.39700  -3.04200   148   150   154
O    5.94700  10.75700  -2.52300   149
C    2.99200  10.18800  -2.22500   148   152   153
O    2.05100   9.14400  -2.62300   151
C    2.26000  11.34900  -1.55100   151
N    4.97100  12.70300  -3.17600   149   155   160
C    6.14300  13.51300  -2.69600   154   156   158
C    6.40000  13.23300  -1.22500   155   157   161
O    5.48500  13.06100  -0.38200   156
C    5.70300  14.96900  -2.92000   155   159
C    4.67600  14.89300  -3.99600   158   160
C    3.96400  13.56700  -3.81100   154   159
N    7.72800  13.29700  -0.92100   156   162
C    8.11400  13.10300   0.50000   161   163   165
C    7.42700  14.07300   1.41000   162   164   170
O    7.03600  13.68200   2.54000   163
C    9.64800  13.28500   0.66000   162   166
C   10.44000  12.09300   0.06300   165   167
C   11.94100  12.17000   0.39100   166   168   169
O   12.41600  13.22500   0.68100   167
O   12.53900  11.07000   0.29200   167
N    7.21200  15.33400   0.96600   163   171
C    6.61400  16.31700   1.91300   170   172   174
C    5.21200  15.93600   2.35000   171   173   175
O    4.78200  16.16600   3.49500   172
C    6.60500  17.69500   1.24600   171
N    4.44500  15.31800   1.40500   172   176
C    3.07400  14.89400   1.75600   175   177   179
C    3.08500  13.64300   2.64500   176   178   183
O    2.31500  13.52300   3.57800   177
C    2.20400  14.63700   0.46200   176   180   181
C    1.81500  16.04800  -0.12900   179   182
C    0.90300  13.86400   0.81100   179
C    0.75600  16.76100   0.75700   180
N    4.03200  12.76400   2.31300   177   184
C    4.18000  11.54900   3.18700   183   185   187
C    4.63200  11.94400   4.59600   184   186   189
O    4.22700  11.25200   5.54700   185
C    5.03800  10.51800   2.53900   184   188
S    4.34900   9.79400   1.02200   116   187
N    5.40800  13.01200   4.69400   185   190
C    5.87900  13.50200   6.02600   189   191   193
C    4.69600  13.90800   6.88200   190   192   194
O    4.52800  13.42200   8.02500   191
C    6.88000  14.61500   5.83000   190
N    3.82700  14.80200   6.35800   191   195
C    2.69100  15.22100   7.19400   194   196   198
C    1.67200  14.13200   7.43400   195   197   201
O    0.94700  14.11200   8.46800   196
C    1.98600  16.52000   6.61400   195   199   200
O    1.66400  16.22100   5.23000   198
C    2.91400  17.73900   6.70000   198
N    1.62100  13.19000   6.51100   196   202
C    0.71500  12.04500   6.65700   201   203   205
C    1.12500  11.12500   7.81500   202   204   213
O    0.28600  10.63200   8.54500   203
C    0.75500  11.22900   5.32200   202   206
C   -0.20300  10.04400   5.35400   205   207   208
C   -1.54700  10.33700   5.64500   206   209
C    0.19300   8.75000   5.10000   206   210
C   -2.49600   9.32900   5.67300   207   211
C   -0.80100   7.70500   5.15600   208   211
C   -2.07900   8.03100   5.43000   209   210   212
O   -3.09700   7.05700   5.45800   211
N    2.47000  10.98400   7.99500   203   214
C    2.98600   9.99400   8.95000   213   215   217
C    3.60900  10.50500  10.23000   214   216   220
O    3.76600   9.71500  11.18600   215
C    4.07600   9.10300   8.22500   214   218   219
O    5.12500  10.02700   7.82400   217
C    3.49300   8.32400   7.03500   217
N    3.98400  11.76400  10.24100   215   221
C    4.76900  12.33600  11.36000   220   222
C    6.25500  12.24300  11.10600   221   223   224
O    7.03700  12.75000  11.95400   222
N    6.71000  11.63100   9.99200   222   225
C    8.14000  11.69400   9.63500   224   226   228
C    8.50000  13.14100   9.20600   225   227   230
O    7.58100  13.94900   8.94400   226
C    8.50400  10.68600   8.53000   225   229
S    8.04800   8.98700   8.88100    26   228
N    9.79300  13.41000   9.17300   226   231
C   10.28000  14.76000   8.82300   230   232   234
C   11.34600  14.65800   7.74300   231   233   238
O   11.97100  13.58300   7.55200   232
C   10.79000  15.53500  10.08500   231   235   236
C   12.05900  14.80300  10.67100   234   237
C    9.68400  15.68600  11.13800   234
C   12.73300  15.67600  11.78100   235
N   11.49000  15.77300   7.03800   232   239
C   12.55200  15.87700   6.03600   238   240   242
C   13.59000  16.91700   6.56000   239   241   246
O   13.16800  18.00600   6.94500   240
C   11.98700  16.36000   4.68100   239   243   244
C   10.91400  15.33800   4.16300   242   245
C   13.13100  16.51700   3.62900   242
C   10.15100  16.02400   2.93800   243
N   14.85600  16.49300   6.53600   240   247
C   15.93000  17.45400   6.94100   246   248   250
C   16.91300  17.55000   5.81900   247   249   254
O   17.09700  16.66000   4.97000   248
C   16.62200  16.99500   8.28500   247   251   252
C   17.36000  15.65100   8.06700   250   253
C   15.59200  16.97400   9.43400   250
C   18.29800  15.20600   9.21900   251
N   17.66400  18.66900   5.80600   248   255   260
C   18.63500  18.86100   4.73800   254   256   258
C   19.92500  18.04200   4.94900   255   257   261
O   20.59300  17.74200   3.94500   256
C   18.94500  20.36400   4.78300   255   259
C   18.23800  20.93700   5.90800   258   260
C   17.37100  19.90000   6.59600   254   259
N   20.17200  17.73000   6.21700   256   262
C   21.45200  16.96900   6.51300   261   263
C   21.14300  15.47800   6.42700   262   264   265
O   20.13800  15.02300   5.87800   263
N   22.05500  14.70100   7.03200   263   266
C   22.01900  13.24200   7.02000   265   267   269
C   21.94400  12.62800   8.39600   266   268   270
O   21.86900  11.38700   8.43500   267
C   23.24600  12.69700   6.27500   266
N   21.89400  13.43500   9.43600   267   271
C   21.93600  12.91100  10.80900   270   272   274
C   20.61500  13.19100  11.52100   271   273   277
O   20.35700  14.31700  11.94800   272
C   23.13100  13.60100  11.59300   271   275   276
O   24.28400  13.40100  10.70900   274
C   23.34000  12.93500  12.96200   274
N   19.82700  12.11000  11.64200   272   278
C   18.50400  12.31200  12.29800   277   279   281
C   18.68400  12.45100  13.78400   278   280   283
O   19.53300  11.71800  14.36200   279
C   17.58200  11.11700  11.99600   278   282
S   17.19900  10.92900  10.23700    20   281
N   17.88000  13.26600  14.42600   279   284   289
C   17.92400  13.42100  15.87700   283   285   287
C   17.39200  12.20600  16.59400   284   286   290
O   16.65200  11.36800  16.03300   285
C   17.07600  14.65800  16.14500   284   288
C   16.09800  14.68900  14.99700   287   289
C   16.85900  14.15000  13.77900   283   288
N   17.72800  12.12400  17.88400   285   291
C   17.33400  10.95600  18.69100   290   292
C   15.87500  10.68800  18.87100   291   293   294
O   15.43400   9.55000  19.16600   292
N   15.03600  11.74700  18.71500   292   295
C   13.56400  11.57300  18.83600   294   296   298
C   12.93600  11.22700  17.47000   295   297   302
O   11.72000  11.04000  17.42800   296
C   12.93300  12.73700  19.58000   295   299
C   13.14000  14.09400  18.95800   298   300   301
O   14.10900  14.30300  18.21200   299
O   12.26700  14.96300  19.26500   299
N   13.72500  11.17400  16.42500   296   303
C   13.25700  10.74500  15.08100   302   304   306
C   14.27500   9.68700  14.61200   303   305   314
O   14.93000   9.86200  13.56800   304
C   13.20000  11.91400  14.07100   303   307
C   12.00000  12.81900  14.39900   306   308   309
C   12.11900  13.85300  15.33200   307   310
C   10.77500  12.61700  13.76200   307   311
C   11.04500  14.67500  15.61000   308   312
C    9.67600  13.43300  14.04800   309   312
C    9.80200  14.45600  14.99600   310   311   313
O    8.74000  15.26500  15.26900   312
N   14.34200   8.64000  15.42200   304   315
C   15.44500   7.66700  15.24600   314   316   318
C   15.17100   6.53300  14.28000   315   317   319
O   16.09300   5.70500  14.03900   316
C   15.68000   7.09900  16.68200   315
N   13.96600   6.50200  13.73900   316   320
C   13.51200   5.39500  12.87800   319   321   323
C   13.31100   5.85300  11.45500   320   322   327
O   13.73300   6.92900  11.02600   321
C   12.26600   4.76900  13.50100   320   324
C   12.53800   4.30400  14.92200   323   325   326
O   11.98200   4.84900  15.88600   324
N   13.40700   3.29800  15.01500   324
O   12.70300   4.97300  10.74600   321
